4,5,6,7-tetrafluoro-2H-benzotriazole
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Basic information
- CAS
26888-72-2- Standard SMILES
Fc1c(F)c(F)c2n[nH]nc2c1F- InChIKey
DQGMLVOXCVGHIM-UHFFFAOYSA-N- Molecular formula
- C6HF4N3
- Average molar mass
- 191.09 g/mol
- Monoisotopic mass
- 191.01065969
Names & identifiers
- Preferred name
- 4,5,6,7-tetrafluoro-2H-benzotriazole
- IUPAC
- 4,5,6,7-tetrafluoro-2H-benzotriazole
- English name
- 4,5,6,7-tetrafluoro-1H-benzo[d][1,2,3]triazole
- Molecular formula
- C6HF4N3
- Molecular weight
- 191.09
Names & synonyms
26888-72-24,5,6,7-tetrafluoro-2H-benzotriazoleDTXSID40423370RefChem:285112DTXCID103742094,5,6,7-Tetrafluoro-1H-benzo[d][1,2,3]triazole4,5,6,7-tetrafluoro-1H-benzotriazoleMFCD019354584,5,6,7-tetrafluoro-1H-1,2,3-benzotriazoleC6HF4N3tetrafluoro-tetrafluorobenzotriazole
Show more names
Tetrafluoro-4,5,6,7-tetrafluoro-1H-benzotriazole1H-Benzotriazole, 4,5,6,7-tetrafluoro-
4,5,6,7-tetrafluoro-2H-1,2,3-benzotriazoleSCHEMBL2409809SCHEMBL28397742SCHEMBL31265404DQGMLVOXCVGHIM-UHFFFAOYSA-NAKOS016012566s10219AS-66926
Database identifiers
- CAS
26888-72-2- PubChem CID
- 6409949
- DTXSID
DTXSID40423370- Nikkaji
- J850.856I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 354.5 · 354.5±37.0 °C(Predicted)
- Density
- 1.817 · 1.817±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.87 · 4.87±0.40(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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